3-cyanopropyl 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 3-cyanopropyl 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 3-cyanopropyl 2-butyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-butyl-1,3-dioxo-5-isoindolecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-butyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-butyl-1,3-diketo-isoindoline-5-carboxylic acid 3-cyanopropyl ester Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCCCC#N

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCCCC#N

InChI

InChI=1S/C17H18N2O4/c1-2-3-9-19-15(20)13-7-6-12(11-14(13)16(19)21)17(22)23-10-5-4-8-18/h6-7,11H,2-5,9-10H2,1H3